4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

C16H23F3N6O2S — CID 56555189

IUPAC4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C16H23F3N6O2S/c17-16(18,19)12-23-24-14(28-12)22-15(27)25-8-6-11(7-9-25)21-13(26)20-10-4-2-1-3-5-10/h10-11H,1-9H2,(H2,20,21,26)(H,22,24,27)
InChIKeyJSTCTZPIPXUZMP-UHFFFAOYSA-N
MW420.46 g/mol
LogP3.19
Rot. Bonds3

About 4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide

4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (PubChem CID 56555189) has the molecular formula C16H23F3N6O2S and a molecular weight of 420.46 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
PubChem CID56555189
Molecular FormulaC16H23F3N6O2S
Molecular Weight420.46 g/mol
Exact Mass420.16
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C16H23F3N6O2S/c17-16(18,19)12-23-24-14(28-12)22-15(27)25-8-6-11(7-9-25)21-13(26)20-10-4-2-1-3-5-10/h10-11H,1-9H2,(H2,20,21,26)(H,22,24,27)
InChIKeyJSTCTZPIPXUZMP-UHFFFAOYSA-N
XLogP3.19
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide (CID 56555189) is 4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is O=C(NC1CCCCC1)NC1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is JSTCTZPIPXUZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N6O2S/c17-16(18,19)12-23-24-14(28-12)22-15(27)25-8-6-11(7-9-25)21-13(26)20-10-4-2-1-3-5-10/h10-11H,1-9H2,(H2,20,21,26)(H,22,24,27).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide?
4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 3.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 56555189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).